2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid

C11H10N2O4 — CID 117190460

IUPAC2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1Oc1ccccc1O
InChIInChI=1S/C11H10N2O4/c1-13-7(10(15)16)6-12-11(13)17-9-5-3-2-4-8(9)14/h2-6,14H,1H3,(H,15,16)
InChIKeyIAJXTPZJYWMYOX-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid

2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid (PubChem CID 117190460) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid
PubChem CID117190460
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1Oc1ccccc1O
InChIInChI=1S/C11H10N2O4/c1-13-7(10(15)16)6-12-11(13)17-9-5-3-2-4-8(9)14/h2-6,14H,1H3,(H,15,16)
InChIKeyIAJXTPZJYWMYOX-UHFFFAOYSA-N
XLogP1.62
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
CID 82390131
2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190509
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
CID 117190482
3-methyl-2-propan-2-yloxyimidazole-4-carboxylic acid
CID 117190537
2-(1-methylimidazol-2-yl)oxyphenol
CID 62133680
2-(1-ethyl-5-methylimidazol-2-yl)oxyphenol
CID 117190674
2-methoxyphenol;oxalic acid
CID 162319729
2-(4-amino-1-methylimidazol-2-yl)oxyphenol
CID 117189410
2-ethyl-3-methylimidazole-4-carboxylic acid
CID 82375320
2-(hydroxymethyl)-3-methylimidazole-4-carboxylic acid
CID 117188464
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid (CID 117190460) is 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid is Cn1c(C(=O)O)cnc1Oc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid?
The InChIKey is IAJXTPZJYWMYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-13-7(10(15)16)6-12-11(13)17-9-5-3-2-4-8(9)14/h2-6,14H,1H3,(H,15,16).
What are the key properties of 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid?
2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 117190460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).